HRID2151647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID148233

Carbamic acid, hydroxy-, phenyl ester

C7H7NO3

结构：Cc1cnc(CN(Cc2nccc3ccccc23)C2CCNCC2)c(C)c1

HCID67271521

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CN(Cc2nccc3ccccc23)C2CCN(C(=O)NO)CC2)c(C)c1

HCID58997180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ba90d89fbb548dda5a485370b29b691
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[CH2:17][c:18]2[n:19][cH:20][cH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]23)[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[O:28]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:36]1)[C:35](=[O:29])[NH:37][OH:38]>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH:11]2[CH2:12][CH2:13][N:14]([C:35](=[O:28])[NH:37][OH:38])[CH2:15][CH2:16]2)[CH2:17][c:18]2[n:19][cH:20][cH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]23)[n:4][cH:5][c:6]([CH3:8])[cH:7]1